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3QZ1
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BU of 3qz1 by Molmil
Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 21-hydroxylase
著者Zhao, B, Waterman, M.R.
登録日2011-03-04
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
To be Published
1SE6
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BU of 1se6 by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-02-16
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
5WPY
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BU of 5wpy by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
分子名称: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
著者Zhao, B, Lan, W, Tang, G, Cao, C.
登録日2016-11-21
公開日2017-11-29
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献major solution Structure of KstB-PCP in kosinostatin biosynthesis
To Be Published
5WPX
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BU of 5wpx by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
分子名称: Peptidyl carrier protein, ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
著者Zhao, B, Lan, W, Tang, G, Cao, C.
登録日2016-11-21
公開日2018-02-07
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
To Be Published
7JJ1
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BU of 7jj1 by Molmil
Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
分子名称: CETYL-TRIMETHYL-AMMONIUM, Cytochrome P450 51, IMIDAZOLE, ...
著者Zhao, B, Lamb, D.C.
登録日2020-07-24
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
To Be Published
1S1F
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BU of 1s1f by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-01-06
公開日2005-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
1T93
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BU of 1t93 by Molmil
Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
分子名称: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
著者Zhao, B, Sundaramoorthy, M, Waterman, M.R.
登録日2004-05-14
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1ATK
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BU of 1atk by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64
分子名称: CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1996-12-19
公開日1998-02-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human osteoclast cathepsin K complex with E-64.
Nat.Struct.Biol., 4, 1997
4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
分子名称: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4QTH
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BU of 4qth by Molmil
Crystal structure of anti-uPAR Fab 8B12
分子名称: anti-uPAR antibody, heavy chain, light chain
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
2NZ5
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BU of 2nz5 by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
著者Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2NZA
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BU of 2nza by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
著者Zhao, B, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
6DM8
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BU of 6dm8 by Molmil
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B.
登録日2018-06-04
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
2MY5
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BU of 2my5 by Molmil
Solution Structure of KstB-PCP in kosinostatin biosynthesis
分子名称: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
著者Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
登録日2015-01-20
公開日2016-01-20
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
2MY6
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BU of 2my6 by Molmil
Structure of KstB-PCP(apo)
分子名称: Peptidyl carrier protein
著者Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
登録日2015-01-20
公開日2016-01-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
2R5T
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BU of 2r5t by Molmil
Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G.
登録日2007-09-04
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
2SN3
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BU of 2sn3 by Molmil
STRUCTURE OF SCORPION TOXIN VARIANT-3 AT 1.2 ANGSTROMS RESOLUTION
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, SCORPION NEUROTOXIN (VARIANT 3)
著者Zhao, B, Carson, M, Ealick, S.E, Bugg, C.E.
登録日1992-02-20
公開日1994-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of scorpion toxin variant-3 at 1.2 A resolution.
J.Mol.Biol., 227, 1992
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
分子名称: 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B, Fesik, S.W.
登録日2024-04-09
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.
J.Med.Chem., 67, 2024
3PDF
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BU of 3pdf by Molmil
Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C
分子名称: 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, B, Laine, D.
登録日2010-10-22
公開日2011-10-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2, 2011
4X1R
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BU of 4x1r by Molmil
The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4
分子名称: 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1S
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The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-10-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1Q
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BU of 4x1q by Molmil
The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1N
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The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
5KH8
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Solution structures of the apo state fluoride riboswitch
分子名称: riboswitch (47-MER)
著者Zhang, Q, Zhao, B.
登録日2016-06-14
公開日2017-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An excited state underlies gene regulation of a transcriptional riboswitch.
Nat. Chem. Biol., 13, 2017
9DA0
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BU of 9da0 by Molmil
Human norovirus GII.4 Houston R112A mutant protease in complex with rupintrivir
分子名称: 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Peptidase C37
著者Zhao, B, Pham, S.H, Neetu, N, Sankaran, B, Prasad, B.V.V.
登録日2024-08-21
公開日2025-02-19
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational flexibility is a critical factor in designing broad-spectrum human norovirus protease inhibitors.
J.Virol., 99, 2025

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